N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide

C21H15N3O3 — CID 135608103

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-19-10-9-13-5-1-2-6-14(13)17(19)12-22-24-21(27)16-11-20(26)23-18-8-4-3-7-15(16)18/h1-12,25H,(H,23,26)(H,24,27)/b22-12+
InChIKeyJLCXIMWPXJGAGU-WSDLNYQXSA-N
MW357.37 g/mol
LogP3.15
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 135608103) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID135608103
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-19-10-9-13-5-1-2-6-14(13)17(19)12-22-24-21(27)16-11-20(26)23-18-8-4-3-7-15(16)18/h1-12,25H,(H,23,26)(H,24,27)/b22-12+
InChIKeyJLCXIMWPXJGAGU-WSDLNYQXSA-N
XLogP3.15
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 135492206
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-(furan-2-ylmethylideneamino)-2-oxo-1H-quinoline-4-carboxamide
CID 2265467
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide (CID 135608103) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JLCXIMWPXJGAGU-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-19-10-9-13-5-1-2-6-14(13)17(19)12-22-24-21(27)16-11-20(26)23-18-8-4-3-7-15(16)18/h1-12,25H,(H,23,26)(H,24,27)/b22-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 135608103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).